⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Acrolein SCHEMBL7765597 | 0.95 | — | — | |
| Acrolein SCHEMBL27256243 | 0.89 | ALDH1A1 (1.00) | — | |
| Acrolein SCHEMBL29438553 | 0.89 | — | — | |
| Acrolein SCHEMBL2571 | 0.89 | — | — | |
| Acrolein SCHEMBL794083 | 0.89 | — | — | |
| Acrolein SCHEMBL8140991 | 0.84 | — | — | |
| Acrolein SCHEMBL601518 | 0.84 | — | — | |
| Acrolein SCHEMBL22833885 | 0.84 | — | — | |
| Acrolein SCHEMBL9767681 | 0.84 | — | — | |
| Acrolein SCHEMBL10897315 | 0.84 | ALDH1A1 (0.89) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6187963-B1 | Processes for the manufacture of acrolein derivatives | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION | 2001-02-13 | — | — | US | disclosed |
| US-6166263-A | Processes for the manufacture of acrolein | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 2000-12-26 | — | — | US | disclosed |